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

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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).