4-[(2-cyclopropyl-1,3-thiazol-4-yl)amino]-2-methylsulfanyl-N-propan-2-ylpyrimidine-5-carboxamide

C15H19N5OS2 — CID 155709207

IUPAC4-[(2-cyclopropyl-1,3-thiazol-4-yl)amino]-2-methylsulfanyl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NC(C)C)c(Nc2csc(C3CC3)n2)n1
InChIInChI=1S/C15H19N5OS2/c1-8(2)17-13(21)10-6-16-15(22-3)20-12(10)18-11-7-23-14(19-11)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,17,21)(H,16,18,20)
InChIKeyGPOASUCKEHYZDW-UHFFFAOYSA-N
MW349.49 g/mol
LogP3.41
Rot. Bonds6

About 4-[(2-cyclopropyl-1,3-thiazol-4-yl)amino]-2-methylsulfanyl-N-propan-2-ylpyrimidine-5-carboxamide

4-[(2-cyclopropyl-1,3-thiazol-4-yl)amino]-2-methylsulfanyl-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 155709207) has the molecular formula C15H19N5OS2 and a molecular weight of 349.49 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-1,3-thiazol-4-yl)amino]-2-methylsulfanyl-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(2-cyclopropyl-1,3-thiazol-4-yl)amino]-2-methylsulfanyl-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID155709207
Molecular FormulaC15H19N5OS2
Molecular Weight349.49 g/mol
Exact Mass349.10
IUPAC Name4-[(2-cyclopropyl-1,3-thiazol-4-yl)amino]-2-methylsulfanyl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NC(C)C)c(Nc2csc(C3CC3)n2)n1
InChIInChI=1S/C15H19N5OS2/c1-8(2)17-13(21)10-6-16-15(22-3)20-12(10)18-11-7-23-14(19-11)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,17,21)(H,16,18,20)
InChIKeyGPOASUCKEHYZDW-UHFFFAOYSA-N
XLogP3.41
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-1,3-thiazol-4-yl)amino]-2-methylsulfanyl-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-[(2-cyclopropyl-1,3-thiazol-4-yl)amino]-2-methylsulfanyl-N-propan-2-ylpyrimidine-5-carboxamide (CID 155709207) is 4-[(2-cyclopropyl-1,3-thiazol-4-yl)amino]-2-methylsulfanyl-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(2-cyclopropyl-1,3-thiazol-4-yl)amino]-2-methylsulfanyl-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[(2-cyclopropyl-1,3-thiazol-4-yl)amino]-2-methylsulfanyl-N-propan-2-ylpyrimidine-5-carboxamide is CSc1ncc(C(=O)NC(C)C)c(Nc2csc(C3CC3)n2)n1.
What is the InChIKey of 4-[(2-cyclopropyl-1,3-thiazol-4-yl)amino]-2-methylsulfanyl-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is GPOASUCKEHYZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS2/c1-8(2)17-13(21)10-6-16-15(22-3)20-12(10)18-11-7-23-14(19-11)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,17,21)(H,16,18,20).
What are the key properties of 4-[(2-cyclopropyl-1,3-thiazol-4-yl)amino]-2-methylsulfanyl-N-propan-2-ylpyrimidine-5-carboxamide?
4-[(2-cyclopropyl-1,3-thiazol-4-yl)amino]-2-methylsulfanyl-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 349.49 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-1,3-thiazol-4-yl)amino]-2-methylsulfanyl-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 155709207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).