N-butyl-2-[(dimethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide

C16H23N3OS2 — CID 50977101

IUPACN-butyl-2-[(dimethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCCCCN(Cc1ccsc1)C(=O)c1csc(CN(C)C)n1
InChIInChI=1S/C16H23N3OS2/c1-4-5-7-19(9-13-6-8-21-11-13)16(20)14-12-22-15(17-14)10-18(2)3/h6,8,11-12H,4-5,7,9-10H2,1-3H3
InChIKeyGMWCPHLSMCHXDV-UHFFFAOYSA-N
MW337.51 g/mol
LogP3.71
Rot. Bonds8

About N-butyl-2-[(dimethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide

N-butyl-2-[(dimethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 50977101) has the molecular formula C16H23N3OS2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-butyl-2-[(dimethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[(dimethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID50977101
Molecular FormulaC16H23N3OS2
Molecular Weight337.51 g/mol
Exact Mass337.13
IUPAC NameN-butyl-2-[(dimethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCCCCN(Cc1ccsc1)C(=O)c1csc(CN(C)C)n1
InChIInChI=1S/C16H23N3OS2/c1-4-5-7-19(9-13-6-8-21-11-13)16(20)14-12-22-15(17-14)10-18(2)3/h6,8,11-12H,4-5,7,9-10H2,1-3H3
InChIKeyGMWCPHLSMCHXDV-UHFFFAOYSA-N
XLogP3.71
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 48573949
1,3-Thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
CID 97472737
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 45887477
1-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 30835750
2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 47120048
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 52252995
N-cyclopropyl-N-(2,2-difluoroethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 53596639
N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 86997213
N-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 103857308
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 107482801
N-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 109994737
N-(cyclopropylmethyl)-N-propan-2-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 40149808

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(dimethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-butyl-2-[(dimethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 50977101) is N-butyl-2-[(dimethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-butyl-2-[(dimethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-butyl-2-[(dimethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide is CCCCN(Cc1ccsc1)C(=O)c1csc(CN(C)C)n1.
What is the InChIKey of N-butyl-2-[(dimethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GMWCPHLSMCHXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS2/c1-4-5-7-19(9-13-6-8-21-11-13)16(20)14-12-22-15(17-14)10-18(2)3/h6,8,11-12H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-butyl-2-[(dimethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide?
N-butyl-2-[(dimethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 337.51 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(dimethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50977101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).