2-[4-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole

C16H18N6S — CID 138019357

IUPAC2-[4-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole
SMILESCc1nc(C2CCCN2c2ccnc(-c3nccs3)n2)[nH]c1C
InChIInChI=1S/C16H18N6S/c1-10-11(2)20-14(19-10)12-4-3-8-22(12)13-5-6-17-15(21-13)16-18-7-9-23-16/h5-7,9,12H,3-4,8H2,1-2H3,(H,19,20)
InChIKeyNKJJEEMOTXPSOM-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.28
Rot. Bonds3

About 2-[4-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole

2-[4-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 138019357) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-[4-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole
PubChem CID138019357
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name2-[4-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole
SMILESCc1nc(C2CCCN2c2ccnc(-c3nccs3)n2)[nH]c1C
InChIInChI=1S/C16H18N6S/c1-10-11(2)20-14(19-10)12-4-3-8-22(12)13-5-6-17-15(21-13)16-18-7-9-23-16/h5-7,9,12H,3-4,8H2,1-2H3,(H,19,20)
InChIKeyNKJJEEMOTXPSOM-UHFFFAOYSA-N
XLogP3.28
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-1,3-thiazole
CID 167807796
2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine
CID 110104269
2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209487
2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129476225
2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine
CID 95298088
2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209653
3,5-dimethyl-4-[4-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole
CID 110129440
3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole
CID 124942382
4-[(2R)-1-(4-methyl-2-pyridinyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 169049294
4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol
CID 138050515
2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209654
8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one
CID 167977261

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole (CID 138019357) is 2-[4-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole is Cc1nc(C2CCCN2c2ccnc(-c3nccs3)n2)[nH]c1C.
What is the InChIKey of 2-[4-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is NKJJEEMOTXPSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S/c1-10-11(2)20-14(19-10)12-4-3-8-22(12)13-5-6-17-15(21-13)16-18-7-9-23-16/h5-7,9,12H,3-4,8H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole?
2-[4-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 326.43 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 138019357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).