N-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine

C18H19N5O3S2 — CID 95837680

IUPACN-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1
InChIInChI=1S/C18H19N5O3S2/c1-26-13-4-6-14(7-5-13)28(24,25)23-11-2-3-16(23)15-8-9-19-17(21-15)22-18-20-10-12-27-18/h4-10,12,16H,2-3,11H2,1H3,(H,19,20,21,22)/t16-/m0/s1
InChIKeyDBPGZACQUOSKDD-INIZCTEOSA-N
MW417.52 g/mol
LogP3.21
Rot. Bonds6

About N-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine

N-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine (PubChem CID 95837680) has the molecular formula C18H19N5O3S2 and a molecular weight of 417.52 g/mol. Its IUPAC name is N-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
PubChem CID95837680
Molecular FormulaC18H19N5O3S2
Molecular Weight417.52 g/mol
Exact Mass417.09
IUPAC NameN-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1
InChIInChI=1S/C18H19N5O3S2/c1-26-13-4-6-14(7-5-13)28(24,25)23-11-2-3-16(23)15-8-9-19-17(21-15)22-18-20-10-12-27-18/h4-10,12,16H,2-3,11H2,1H3,(H,19,20,21,22)/t16-/m0/s1
InChIKeyDBPGZACQUOSKDD-INIZCTEOSA-N
XLogP3.21
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine
CID 110267288
N-[4-(1-methylpiperidin-2-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 155983128
1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110267168
4-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-5-ylpyrimidin-2-amine
CID 95837660
N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95813322
4-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 95837666
(2R)-1-(4-methoxyphenyl)sulfonyl-2-(3-methylthiophen-2-yl)azepane
CID 92502814
2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole
CID 3825006
N-[4-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 110267234
N-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 95837562
2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 110104512
1-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)pyrrolidine
CID 17486697

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine (CID 95837680) is N-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine is COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1.
What is the InChIKey of N-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is DBPGZACQUOSKDD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N5O3S2/c1-26-13-4-6-14(7-5-13)28(24,25)23-11-2-3-16(23)15-8-9-19-17(21-15)22-18-20-10-12-27-18/h4-10,12,16H,2-3,11H2,1H3,(H,19,20,21,22)/t16-/m0/s1.
What are the key properties of N-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine?
N-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 417.52 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 95837680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).