4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C17H23N3OS2 — CID 30185625

IUPAC4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)sc1C
InChIInChI=1S/C17H23N3OS2/c1-11-4-6-20(7-5-11)9-14-10-22-17(18-14)19-16(21)15-8-12(2)13(3)23-15/h8,10-11H,4-7,9H2,1-3H3,(H,18,19,21)
InChIKeySVYPQZMTTAYEKN-UHFFFAOYSA-N
MW349.53 g/mol
LogP4.31
Rot. Bonds4

About 4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 30185625) has the molecular formula C17H23N3OS2 and a molecular weight of 349.53 g/mol. Its IUPAC name is 4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID30185625
Molecular FormulaC17H23N3OS2
Molecular Weight349.53 g/mol
Exact Mass349.13
IUPAC Name4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)sc1C
InChIInChI=1S/C17H23N3OS2/c1-11-4-6-20(7-5-11)9-14-10-22-17(18-14)19-16(21)15-8-12(2)13(3)23-15/h8,10-11H,4-7,9H2,1-3H3,(H,18,19,21)
InChIKeySVYPQZMTTAYEKN-UHFFFAOYSA-N
XLogP4.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 71864106
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 30185216
5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-propylthiophene-2-carboxamide
CID 29324093
N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 26130484
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyrrol-1-ylbenzamide
CID 30186483
6-chloro-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide
CID 30187151
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 24610954
2-ethoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18143742
2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide
CID 55451656
N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 26130496
2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 29324595
2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 30186123

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 30185625) is 4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is Cc1cc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is SVYPQZMTTAYEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS2/c1-11-4-6-20(7-5-11)9-14-10-22-17(18-14)19-16(21)15-8-12(2)13(3)23-15/h8,10-11H,4-7,9H2,1-3H3,(H,18,19,21).
What are the key properties of 4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 349.53 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 30185625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).