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

C14H16BrClN6OS — CID 130419512

IUPAC2-[5-[[5-bromo-4-(cyclopropylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1nc(Cl)c(Nc2ncc(Br)c(NC3CC3)n2)s1
InChIInChI=1S/C14H16BrClN6OS/c1-14(2,11(17)23)12-20-8(16)10(24-12)22-13-18-5-7(15)9(21-13)19-6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,17,23)(H2,18,19,21,22)
InChIKeyZGBNRPYCJPTBQY-UHFFFAOYSA-N
MW431.75 g/mol
LogP3.43
Rot. Bonds6

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

2-[5-[[5-bromo-4-(cyclopropylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 130419512) has the molecular formula C14H16BrClN6OS and a molecular weight of 431.75 g/mol. Its IUPAC name is 2-[5-[[5-bromo-4-(cyclopropylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[5-[[5-bromo-4-(cyclopropylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID130419512
Molecular FormulaC14H16BrClN6OS
Molecular Weight431.75 g/mol
Exact Mass430.00
IUPAC Name2-[5-[[5-bromo-4-(cyclopropylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1nc(Cl)c(Nc2ncc(Br)c(NC3CC3)n2)s1
InChIInChI=1S/C14H16BrClN6OS/c1-14(2,11(17)23)12-20-8(16)10(24-12)22-13-18-5-7(15)9(21-13)19-6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,17,23)(H2,18,19,21,22)
InChIKeyZGBNRPYCJPTBQY-UHFFFAOYSA-N
XLogP3.43
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.75
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[5-[[5-bromo-4-(cyclopropylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-Chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419508
2-[4-Chloro-5-[[4-(2,2-difluoroethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419509
2-[4-Chloro-5-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419715
2-[4-Chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419717
2-[5-[[4-(Cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419724
2-[5-[[5-Bromo-4-(ethylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419510
N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
CID 118944505
2-[5-[(5-Bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide
CID 159132273
2-[4-Chloro-5-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 159132275
2-[5-[[4-(Cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 161948397

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[5-bromo-4-(cyclopropylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of 2-[5-[[5-bromo-4-(cyclopropylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide (CID 130419512) is 2-[5-[[5-bromo-4-(cyclopropylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[5-[[5-bromo-4-(cyclopropylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-[5-[[5-bromo-4-(cyclopropylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)(C(N)=O)c1nc(Cl)c(Nc2ncc(Br)c(NC3CC3)n2)s1.
What is the InChIKey of 2-[5-[[5-bromo-4-(cyclopropylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is ZGBNRPYCJPTBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN6OS/c1-14(2,11(17)23)12-20-8(16)10(24-12)22-13-18-5-7(15)9(21-13)19-6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,17,23)(H2,18,19,21,22).
What are the key properties of 2-[5-[[5-bromo-4-(cyclopropylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide?
2-[5-[[5-bromo-4-(cyclopropylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 431.75 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[5-bromo-4-(cyclopropylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 130419512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).