2-[4-chloro-5-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide

C15H19ClN6OS — CID 159132275

IUPAC2-[4-chloro-5-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCc1cnc(Nc2sc(C(C)(C)C(N)=O)nc2Cl)nc1NC1CC1
InChIInChI=1S/C15H19ClN6OS/c1-7-6-18-14(21-10(7)19-8-4-5-8)22-11-9(16)20-13(24-11)15(2,3)12(17)23/h6,8H,4-5H2,1-3H3,(H2,17,23)(H2,18,19,21,22)
InChIKeyWWSXSNVBPUGWHZ-UHFFFAOYSA-N
MW366.88 g/mol
LogP2.98
Rot. Bonds6

About 2-[4-chloro-5-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide

2-[4-chloro-5-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 159132275) has the molecular formula C15H19ClN6OS and a molecular weight of 366.88 g/mol. Its IUPAC name is 2-[4-chloro-5-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-chloro-5-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID159132275
Molecular FormulaC15H19ClN6OS
Molecular Weight366.88 g/mol
Exact Mass366.10
IUPAC Name2-[4-chloro-5-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCc1cnc(Nc2sc(C(C)(C)C(N)=O)nc2Cl)nc1NC1CC1
InChIInChI=1S/C15H19ClN6OS/c1-7-6-18-14(21-10(7)19-8-4-5-8)22-11-9(16)20-13(24-11)15(2,3)12(17)23/h6,8H,4-5H2,1-3H3,(H2,17,23)(H2,18,19,21,22)
InChIKeyWWSXSNVBPUGWHZ-UHFFFAOYSA-N
XLogP2.98
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.88
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of 2-[4-chloro-5-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 159132275) is 2-[4-chloro-5-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-chloro-5-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-[4-chloro-5-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide is Cc1cnc(Nc2sc(C(C)(C)C(N)=O)nc2Cl)nc1NC1CC1.
What is the InChIKey of 2-[4-chloro-5-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is WWSXSNVBPUGWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6OS/c1-7-6-18-14(21-10(7)19-8-4-5-8)22-11-9(16)20-13(24-11)15(2,3)12(17)23/h6,8H,4-5H2,1-3H3,(H2,17,23)(H2,18,19,21,22).
What are the key properties of 2-[4-chloro-5-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide?
2-[4-chloro-5-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 366.88 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 159132275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).