(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone

C14H15N3OS2 — CID 122272631

IUPAC(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CC2CC1CS2
InChIInChI=1S/C14H15N3OS2/c1-9-12(20-14(15-9)16-4-2-3-5-16)13(18)17-7-11-6-10(17)8-19-11/h2-5,10-11H,6-8H2,1H3
InChIKeyAHMIKSOHIPBACY-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.57
Rot. Bonds2

About (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone

(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone (PubChem CID 122272631) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
PubChem CID122272631
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CC2CC1CS2
InChIInChI=1S/C14H15N3OS2/c1-9-12(20-14(15-9)16-4-2-3-5-16)13(18)17-7-11-6-10(17)8-19-11/h2-5,10-11H,6-8H2,1H3
InChIKeyAHMIKSOHIPBACY-UHFFFAOYSA-N
XLogP2.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 20889810
N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53013907
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 121190107
[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 90564393
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)-[3-(pyrazin-2-ylamino)azetidin-1-yl]methanone
CID 131702973
(5-chlorothiophen-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122272822
[(7S)-7-(2-fluorophenyl)-1,1-dioxo-1,4-thiazepan-4-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 129357899
[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 71809434
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 42571680
4-cyclopentyl-2-methyl-5-[1-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121114780

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The IUPAC name of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone (CID 122272631) is (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone.
What is the SMILES notation for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The canonical SMILES for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone is Cc1nc(-n2cccc2)sc1C(=O)N1CC2CC1CS2.
What is the InChIKey of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The InChIKey is AHMIKSOHIPBACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-9-12(20-14(15-9)16-4-2-3-5-16)13(18)17-7-11-6-10(17)8-19-11/h2-5,10-11H,6-8H2,1H3.
What are the key properties of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone has a molecular weight of 305.43 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone is sourced from PubChem (CID 122272631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).