N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C22H27N3O2S2 — CID 653546

IUPACN-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCCN(CC)CCCN(C(=O)c1cccs1)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C22H27N3O2S2/c1-4-24(5-2)13-7-14-25(21(26)20-8-6-15-28-20)22-23-19(16-29-22)17-9-11-18(27-3)12-10-17/h6,8-12,15-16H,4-5,7,13-14H2,1-3H3
InChIKeyQUFMFZUZPVSFQX-UHFFFAOYSA-N
MW429.61 g/mol
LogP5.26
Rot. Bonds10

About N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 653546) has the molecular formula C22H27N3O2S2 and a molecular weight of 429.61 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID653546
Molecular FormulaC22H27N3O2S2
Molecular Weight429.61 g/mol
Exact Mass429.15
IUPAC NameN-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCCN(CC)CCCN(C(=O)c1cccs1)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C22H27N3O2S2/c1-4-24(5-2)13-7-14-25(21(26)20-8-6-15-28-20)22-23-19(16-29-22)17-9-11-18(27-3)12-10-17/h6,8-12,15-16H,4-5,7,13-14H2,1-3H3
InChIKeyQUFMFZUZPVSFQX-UHFFFAOYSA-N
XLogP5.26
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.61
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

T16AInh-A01
CID 135460621
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 862702
Furan-2-carboxylic acid [4-(4-methoxy-phenyl)-thiazol-2-yl]-methyl-amide
CID 862765
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 1490762
4-(4-Methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
CID 3889772
N-Ethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-propionamide
CID 645119
1-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144332
JT010
CID 18524489
N-Furan-2-ylmethyl-N-(4-phenyl-thiazol-2-yl)-propionamide
CID 651338
Thiophene-2-carboxylic acid [4-(4-methoxy-phenyl)-thiazol-2-yl]-(tetrahydro-furan-2-ylmethyl)-amide
CID 654583
Thiophene-2-carboxylic acid (3,4-dimethoxy-benzyl)-thiazol-2-yl-amide
CID 655178

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 653546) is N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is CCN(CC)CCCN(C(=O)c1cccs1)c1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is QUFMFZUZPVSFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S2/c1-4-24(5-2)13-7-14-25(21(26)20-8-6-15-28-20)22-23-19(16-29-22)17-9-11-18(27-3)12-10-17/h6,8-12,15-16H,4-5,7,13-14H2,1-3H3.
What are the key properties of N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 429.61 g/mol, XLogP of 5.26, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 653546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).