N-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

C16H24N4OS2 — CID 119567442

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)NC3(CN)CCCC3)cc2s1
InChIInChI=1S/C16H24N4OS2/c1-3-20(4-2)15-18-14-12(23-15)9-11(22-14)13(21)19-16(10-17)7-5-6-8-16/h9H,3-8,10,17H2,1-2H3,(H,19,21)
InChIKeyIJWULIPJJSNQIY-UHFFFAOYSA-N
MW352.53 g/mol
LogP3.21
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

N-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 119567442) has the molecular formula C16H24N4OS2 and a molecular weight of 352.53 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID119567442
Molecular FormulaC16H24N4OS2
Molecular Weight352.53 g/mol
Exact Mass352.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)NC3(CN)CCCC3)cc2s1
InChIInChI=1S/C16H24N4OS2/c1-3-20(4-2)15-18-14-12(23-15)9-11(22-14)13(21)19-16(10-17)7-5-6-8-16/h9H,3-8,10,17H2,1-2H3,(H,19,21)
InChIKeyIJWULIPJJSNQIY-UHFFFAOYSA-N
XLogP3.21
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119995828
N-(1-amino-2-methylpropan-2-yl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride
CID 119524051
2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 120947297
2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 60525036
2-(diethylamino)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55865012
2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119463249
2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 47069990
2-(diethylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689236
N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119567082
2-(diethylamino)-N-[(2-methoxyphenyl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55864501
1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperidine-4-carboxamide
CID 47069873
2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689269

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 119567442) is N-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is CCN(CC)c1nc2sc(C(=O)NC3(CN)CCCC3)cc2s1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is IJWULIPJJSNQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS2/c1-3-20(4-2)15-18-14-12(23-15)9-11(22-14)13(21)19-16(10-17)7-5-6-8-16/h9H,3-8,10,17H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 352.53 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 119567442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).