4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide

C17H26N6OS — CID 126772818

IUPAC4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCn1ccc(NC(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1
InChIInChI=1S/C17H26N6OS/c1-17(2,3)15-18-13(12-25-15)11-22-7-9-23(10-8-22)16(24)19-14-5-6-21(4)20-14/h5-6,12H,7-11H2,1-4H3,(H,19,20,24)
InChIKeyCHWANXINMTZGDJ-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.52
Rot. Bonds3

About 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide

4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide (PubChem CID 126772818) has the molecular formula C17H26N6OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
PubChem CID126772818
Molecular FormulaC17H26N6OS
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC Name4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCn1ccc(NC(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1
InChIInChI=1S/C17H26N6OS/c1-17(2,3)15-18-13(12-25-15)11-22-7-9-23(10-8-22)16(24)19-14-5-6-21(4)20-14/h5-6,12H,7-11H2,1-4H3,(H,19,20,24)
InChIKeyCHWANXINMTZGDJ-UHFFFAOYSA-N
XLogP2.52
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45803839
1-[2-(4-Methyl-1,3-thiazol-2-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45828496
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084067
N-[4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53603018
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 56817801
1-[1-[2-(Dimethylamino)ethyl]pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 71870251
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 136196687
1-[(4-Methyl-1,3-thiazol-2-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45827569
3-[(2-Tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-1-propylurea
CID 56783168
1-Methyl-N-((2-methylthiazol-4-yl)methyl)-1H-pyrazol-3-amine
CID 60809807
1-(2-Cyclohexylpyrazol-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71870354
1-(3-methoxypropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine
CID 71969682

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide (CID 126772818) is 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide is Cn1ccc(NC(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1.
What is the InChIKey of 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide?
The InChIKey is CHWANXINMTZGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6OS/c1-17(2,3)15-18-13(12-25-15)11-22-7-9-23(10-8-22)16(24)19-14-5-6-21(4)20-14/h5-6,12H,7-11H2,1-4H3,(H,19,20,24).
What are the key properties of 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide?
4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 126772818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).