(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(pyrazin-2-ylamino)azetidin-1-yl]methanone

C16H16N6OS — CID 131702973

IUPAC(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(pyrazin-2-ylamino)azetidin-1-yl]methanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2cnccn2)C1
InChIInChI=1S/C16H16N6OS/c1-11-14(24-16(19-11)21-6-2-3-7-21)15(23)22-9-12(10-22)20-13-8-17-4-5-18-13/h2-8,12H,9-10H2,1H3,(H,18,20)
InChIKeyMROCCJOSIJKHPU-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.97
Rot. Bonds4

About (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(pyrazin-2-ylamino)azetidin-1-yl]methanone

(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(pyrazin-2-ylamino)azetidin-1-yl]methanone (PubChem CID 131702973) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(pyrazin-2-ylamino)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(pyrazin-2-ylamino)azetidin-1-yl]methanone
PubChem CID131702973
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(pyrazin-2-ylamino)azetidin-1-yl]methanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2cnccn2)C1
InChIInChI=1S/C16H16N6OS/c1-11-14(24-16(19-11)21-6-2-3-7-21)15(23)22-9-12(10-22)20-13-8-17-4-5-18-13/h2-8,12H,9-10H2,1H3,(H,18,20)
InChIKeyMROCCJOSIJKHPU-UHFFFAOYSA-N
XLogP1.97
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 91814760
[(3aR,4R,6aS)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 110138959
N-(1-carbamoylazetidin-3-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 146022937
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
CID 20889810
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251212
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 121190107
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 121162324
N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53013907
(4-methylthiadiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
CID 121187299
[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 71809434
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122272631
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(pyrazin-2-ylamino)azetidin-1-yl]methanone?
The IUPAC name of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(pyrazin-2-ylamino)azetidin-1-yl]methanone (CID 131702973) is (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(pyrazin-2-ylamino)azetidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(pyrazin-2-ylamino)azetidin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(pyrazin-2-ylamino)azetidin-1-yl]methanone is Cc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2cnccn2)C1.
What is the InChIKey of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(pyrazin-2-ylamino)azetidin-1-yl]methanone?
The InChIKey is MROCCJOSIJKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c1-11-14(24-16(19-11)21-6-2-3-7-21)15(23)22-9-12(10-22)20-13-8-17-4-5-18-13/h2-8,12H,9-10H2,1H3,(H,18,20).
What are the key properties of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(pyrazin-2-ylamino)azetidin-1-yl]methanone?
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(pyrazin-2-ylamino)azetidin-1-yl]methanone has a molecular weight of 340.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(pyrazin-2-ylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 131702973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).