1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea

C19H30N6OS — CID 126767612

IUPAC1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
SMILESCn1cc(N2CCCC(NC(=O)NCCc3csc(C(C)(C)C)n3)C2)cn1
InChIInChI=1S/C19H30N6OS/c1-19(2,3)17-22-15(13-27-17)7-8-20-18(26)23-14-6-5-9-25(11-14)16-10-21-24(4)12-16/h10,12-14H,5-9,11H2,1-4H3,(H2,20,23,26)
InChIKeySRCSBHFJQFEIEN-UHFFFAOYSA-N
MW390.56 g/mol
LogP2.68
Rot. Bonds5

About 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea

1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea (PubChem CID 126767612) has the molecular formula C19H30N6OS and a molecular weight of 390.56 g/mol. Its IUPAC name is 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
PubChem CID126767612
Molecular FormulaC19H30N6OS
Molecular Weight390.56 g/mol
Exact Mass390.22
IUPAC Name1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
SMILESCn1cc(N2CCCC(NC(=O)NCCc3csc(C(C)(C)C)n3)C2)cn1
InChIInChI=1S/C19H30N6OS/c1-19(2,3)17-22-15(13-27-17)7-8-20-18(26)23-14-6-5-9-25(11-14)16-10-21-24(4)12-16/h10,12-14H,5-9,11H2,1-4H3,(H2,20,23,26)
InChIKeySRCSBHFJQFEIEN-UHFFFAOYSA-N
XLogP2.68
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 95967438
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 100900899
1-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 71868005
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide
CID 124590446
1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 111507767
N-[2-[[ethylamino-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111997336
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
CID 119889292
N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 124590300
1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 124590432
1-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 126772468
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride
CID 119889291

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea?
The IUPAC name of 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea (CID 126767612) is 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea.
What is the SMILES notation for 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea?
The canonical SMILES for 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea is Cn1cc(N2CCCC(NC(=O)NCCc3csc(C(C)(C)C)n3)C2)cn1.
What is the InChIKey of 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea?
The InChIKey is SRCSBHFJQFEIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6OS/c1-19(2,3)17-22-15(13-27-17)7-8-20-18(26)23-14-6-5-9-25(11-14)16-10-21-24(4)12-16/h10,12-14H,5-9,11H2,1-4H3,(H2,20,23,26).
What are the key properties of 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea?
1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea has a molecular weight of 390.56 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea is sourced from PubChem (CID 126767612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).