4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide

C16H21N5OS2 — CID 155709592

IUPAC4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NC2CC2)c(Nc2nc(C(C)(C)C)cs2)n1
InChIInChI=1S/C16H21N5OS2/c1-16(2,3)11-8-24-15(19-11)21-12-10(7-17-14(20-12)23-4)13(22)18-9-5-6-9/h7-9H,5-6H2,1-4H3,(H,18,22)(H,17,19,20,21)
InChIKeyZPZKFNDSQCEVOW-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.59
Rot. Bonds5

About 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide

4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 155709592) has the molecular formula C16H21N5OS2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID155709592
Molecular FormulaC16H21N5OS2
Molecular Weight363.51 g/mol
Exact Mass363.12
IUPAC Name4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NC2CC2)c(Nc2nc(C(C)(C)C)cs2)n1
InChIInChI=1S/C16H21N5OS2/c1-16(2,3)11-8-24-15(19-11)21-12-10(7-17-14(20-12)23-4)13(22)18-9-5-6-9/h7-9H,5-6H2,1-4H3,(H,18,22)(H,17,19,20,21)
InChIKeyZPZKFNDSQCEVOW-UHFFFAOYSA-N
XLogP3.59
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 56744913
2-(ethylamino)-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)-5-pyrimidinecarboxamide
CID 72931734
2-(ethylamino)-N-{2-[2-(2-pyrimidinyl)-1,3-thiazol-4-yl]ethyl}-5-pyrimidinecarboxamide
CID 72938924
2-cyclopropyl-N-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxamide
CID 97936007
2-cyclopropyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
CID 125516607
N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 126785255
4-amino-2-cyclopropyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyrimidine-5-carboxamide
CID 164640070
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 155709490
2-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-5-carboxamide
CID 75510896
N-(4-acetyl-1,3-thiazol-2-yl)-2-tert-butylpyrimidine-5-carboxamide
CID 46963841
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 131918647
1-(4-Tert-butyl-1,3-thiazol-2-yl)-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 155193399

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide (CID 155709592) is 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)NC2CC2)c(Nc2nc(C(C)(C)C)cs2)n1.
What is the InChIKey of 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is ZPZKFNDSQCEVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS2/c1-16(2,3)11-8-24-15(19-11)21-12-10(7-17-14(20-12)23-4)13(22)18-9-5-6-9/h7-9H,5-6H2,1-4H3,(H,18,22)(H,17,19,20,21).
What are the key properties of 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide?
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 155709592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).