(3-methylthiophen-2-yl)-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone

C19H21N3OS2 — CID 25378657

IUPAC(3-methylthiophen-2-yl)-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone
SMILESCc1ccsc1C(=O)[C@@H]1CCCN(Cc2cccn2-c2nccs2)C1
InChIInChI=1S/C19H21N3OS2/c1-14-6-10-24-18(14)17(23)15-4-2-8-21(12-15)13-16-5-3-9-22(16)19-20-7-11-25-19/h3,5-7,9-11,15H,2,4,8,12-13H2,1H3/t15-/m1/s1
InChIKeyBNXSBONSMRGROK-OAHLLOKOSA-N
MW371.53 g/mol
LogP4.40
Rot. Bonds5

About (3-methylthiophen-2-yl)-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone

(3-methylthiophen-2-yl)-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone (PubChem CID 25378657) has the molecular formula C19H21N3OS2 and a molecular weight of 371.53 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone
PubChem CID25378657
Molecular FormulaC19H21N3OS2
Molecular Weight371.53 g/mol
Exact Mass371.11
IUPAC Name(3-methylthiophen-2-yl)-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone
SMILESCc1ccsc1C(=O)[C@@H]1CCCN(Cc2cccn2-c2nccs2)C1
InChIInChI=1S/C19H21N3OS2/c1-14-6-10-24-18(14)17(23)15-4-2-8-21(12-15)13-16-5-3-9-22(16)19-20-7-11-25-19/h3,5-7,9-11,15H,2,4,8,12-13H2,1H3/t15-/m1/s1
InChIKeyBNXSBONSMRGROK-OAHLLOKOSA-N
XLogP4.40
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

naphthalen-1-yl-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone
CID 25477877
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
CID 45232578
N-(3,4-dimethylphenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine
CID 45250511
[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
CID 25381246
N-[(2-chlorophenyl)methyl]-3-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]propanamide
CID 45227061
[(3S)-1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
CID 42514125
2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole
CID 45210797
(3R)-N-(3-fluorophenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine
CID 42311344
2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole
CID 56718757
N-(oxolan-2-ylmethyl)-3-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-4-yl]propanamide
CID 45241975
(4-chlorophenyl)-[(3R)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanone
CID 42520305
(4-methylsulfanylphenyl)-[(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanone
CID 25275190

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone?
The IUPAC name of (3-methylthiophen-2-yl)-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone (CID 25378657) is (3-methylthiophen-2-yl)-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone is Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2cccn2-c2nccs2)C1.
What is the InChIKey of (3-methylthiophen-2-yl)-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone?
The InChIKey is BNXSBONSMRGROK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N3OS2/c1-14-6-10-24-18(14)17(23)15-4-2-8-21(12-15)13-16-5-3-9-22(16)19-20-7-11-25-19/h3,5-7,9-11,15H,2,4,8,12-13H2,1H3/t15-/m1/s1.
What are the key properties of (3-methylthiophen-2-yl)-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone?
(3-methylthiophen-2-yl)-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone has a molecular weight of 371.53 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 25378657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).