N-(2,5-dichloropyrimidin-4-yl)-2-methyl-4-propan-2-ylsulfonyl-1,3-thiazol-5-amine

C11H12Cl2N4O2S2 — CID 118549955

IUPACN-(2,5-dichloropyrimidin-4-yl)-2-methyl-4-propan-2-ylsulfonyl-1,3-thiazol-5-amine
SMILESCc1nc(S(=O)(=O)C(C)C)c(Nc2nc(Cl)ncc2Cl)s1
InChIInChI=1S/C11H12Cl2N4O2S2/c1-5(2)21(18,19)10-9(20-6(3)15-10)16-8-7(12)4-14-11(13)17-8/h4-5H,1-3H3,(H,14,16,17)
InChIKeyPDMOUAHQNDRGNX-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.47
Rot. Bonds4

About N-(2,5-dichloropyrimidin-4-yl)-2-methyl-4-propan-2-ylsulfonyl-1,3-thiazol-5-amine

N-(2,5-dichloropyrimidin-4-yl)-2-methyl-4-propan-2-ylsulfonyl-1,3-thiazol-5-amine (PubChem CID 118549955) has the molecular formula C11H12Cl2N4O2S2 and a molecular weight of 367.28 g/mol. Its IUPAC name is N-(2,5-dichloropyrimidin-4-yl)-2-methyl-4-propan-2-ylsulfonyl-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-(2,5-dichloropyrimidin-4-yl)-2-methyl-4-propan-2-ylsulfonyl-1,3-thiazol-5-amine
PubChem CID118549955
Molecular FormulaC11H12Cl2N4O2S2
Molecular Weight367.28 g/mol
Exact Mass365.98
IUPAC NameN-(2,5-dichloropyrimidin-4-yl)-2-methyl-4-propan-2-ylsulfonyl-1,3-thiazol-5-amine
SMILESCc1nc(S(=O)(=O)C(C)C)c(Nc2nc(Cl)ncc2Cl)s1
InChIInChI=1S/C11H12Cl2N4O2S2/c1-5(2)21(18,19)10-9(20-6(3)15-10)16-8-7(12)4-14-11(13)17-8/h4-5H,1-3H3,(H,14,16,17)
InChIKeyPDMOUAHQNDRGNX-UHFFFAOYSA-N
XLogP3.47
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,5-dichloropyrimidin-4-yl)-2-methyl-4-propan-2-ylsulfonyl-1,3-thiazol-5-amine 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

2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
CID 142742089
2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 126685422
3-[(2,5-dichloropyrimidin-4-yl)amino]-4-propan-2-ylsulfonylbenzonitrile
CID 155291869
2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 79632909
2,5-dichloro-N-methoxypyrimidin-4-amine
CID 135137744
methyl 2-[(2,5-dichloropyrimidin-4-yl)amino]thiophene-3-carboxylate
CID 168866713
N-(4-bromo-2,6-dimethylphenyl)-2,5-dichloropyrimidin-4-amine
CID 79632109
2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine
CID 167216736
methyl 2-[(2,5-dichloropyrimidin-4-yl)amino]propanoate
CID 79632906
2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 79632159
2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 163444806
N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine
CID 175424607

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-2-methyl-4-propan-2-ylsulfonyl-1,3-thiazol-5-amine?
The IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-2-methyl-4-propan-2-ylsulfonyl-1,3-thiazol-5-amine (CID 118549955) is N-(2,5-dichloropyrimidin-4-yl)-2-methyl-4-propan-2-ylsulfonyl-1,3-thiazol-5-amine.
What is the SMILES notation for N-(2,5-dichloropyrimidin-4-yl)-2-methyl-4-propan-2-ylsulfonyl-1,3-thiazol-5-amine?
The canonical SMILES for N-(2,5-dichloropyrimidin-4-yl)-2-methyl-4-propan-2-ylsulfonyl-1,3-thiazol-5-amine is Cc1nc(S(=O)(=O)C(C)C)c(Nc2nc(Cl)ncc2Cl)s1.
What is the InChIKey of N-(2,5-dichloropyrimidin-4-yl)-2-methyl-4-propan-2-ylsulfonyl-1,3-thiazol-5-amine?
The InChIKey is PDMOUAHQNDRGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O2S2/c1-5(2)21(18,19)10-9(20-6(3)15-10)16-8-7(12)4-14-11(13)17-8/h4-5H,1-3H3,(H,14,16,17).
What are the key properties of N-(2,5-dichloropyrimidin-4-yl)-2-methyl-4-propan-2-ylsulfonyl-1,3-thiazol-5-amine?
N-(2,5-dichloropyrimidin-4-yl)-2-methyl-4-propan-2-ylsulfonyl-1,3-thiazol-5-amine has a molecular weight of 367.28 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloropyrimidin-4-yl)-2-methyl-4-propan-2-ylsulfonyl-1,3-thiazol-5-amine is sourced from PubChem (CID 118549955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).