4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide

C19H26N6OS — CID 127942123

IUPAC4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCCC2)N1CCN(c2cc(C3CC3)[nH]n2)CC1
InChIInChI=1S/C19H26N6OS/c26-19(21-18-20-14-4-2-1-3-5-16(14)27-18)25-10-8-24(9-11-25)17-12-15(22-23-17)13-6-7-13/h12-13H,1-11H2,(H,22,23)(H,20,21,26)
InChIKeyBBUHPTFCRSDYDY-UHFFFAOYSA-N
MW386.53 g/mol
LogP3.37
Rot. Bonds3

About 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide

4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 127942123) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide
PubChem CID127942123
Molecular FormulaC19H26N6OS
Molecular Weight386.53 g/mol
Exact Mass386.19
IUPAC Name4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCCC2)N1CCN(c2cc(C3CC3)[nH]n2)CC1
InChIInChI=1S/C19H26N6OS/c26-19(21-18-20-14-4-2-1-3-5-16(14)27-18)25-10-8-24(9-11-25)17-12-15(22-23-17)13-6-7-13/h12-13H,1-11H2,(H,22,23)(H,20,21,26)
InChIKeyBBUHPTFCRSDYDY-UHFFFAOYSA-N
XLogP3.37
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
CID 91641522
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81126323
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide
CID 112824626
9-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 86778048
3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 121197644
3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 126946397
ethyl 1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylate
CID 102556073
4-pyridin-2-ylsulfanyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
CID 100908268
4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 126864766
4-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 126889278
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
N-[(2S)-1-oxo-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 52901177

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide (CID 127942123) is 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide is O=C(Nc1nc2c(s1)CCCCC2)N1CCN(c2cc(C3CC3)[nH]n2)CC1.
What is the InChIKey of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is BBUHPTFCRSDYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6OS/c26-19(21-18-20-14-4-2-1-3-5-16(14)27-18)25-10-8-24(9-11-25)17-12-15(22-23-17)13-6-7-13/h12-13H,1-11H2,(H,22,23)(H,20,21,26).
What are the key properties of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide?
4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 386.53 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 127942123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).