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

C14H22N4OS2 — CID 119995828

IUPACN-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)NCC(C)CN)cc2s1
InChIInChI=1S/C14H22N4OS2/c1-4-18(5-2)14-17-13-11(21-14)6-10(20-13)12(19)16-8-9(3)7-15/h6,9H,4-5,7-8,15H2,1-3H3,(H,16,19)
InChIKeyLLJXZCGSORDWGE-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.53
Rot. Bonds7

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

N-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 119995828) has the molecular formula C14H22N4OS2 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID119995828
Molecular FormulaC14H22N4OS2
Molecular Weight326.49 g/mol
Exact Mass326.12
IUPAC NameN-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)NCC(C)CN)cc2s1
InChIInChI=1S/C14H22N4OS2/c1-4-18(5-2)14-17-13-11(21-14)6-10(20-13)12(19)16-8-9(3)7-15/h6,9H,4-5,7-8,15H2,1-3H3,(H,16,19)
InChIKeyLLJXZCGSORDWGE-UHFFFAOYSA-N
XLogP2.53
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-phenylethyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119528992
N-(1-amino-2-methylpropan-2-yl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride
CID 119524051
N-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119567442
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-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 120947297
2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 47069990
2-(diethylamino)-N-[(2-methoxyphenyl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55864501
N-(5-amino-2-methylphenyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 120568686
2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 60525036
2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119463249
2-(diethylamino)-N-(2-ethoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55865260
2-(diethylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689236

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 119995828) is N-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is CCN(CC)c1nc2sc(C(=O)NCC(C)CN)cc2s1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is LLJXZCGSORDWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS2/c1-4-18(5-2)14-17-13-11(21-14)6-10(20-13)12(19)16-8-9(3)7-15/h6,9H,4-5,7-8,15H2,1-3H3,(H,16,19).
What are the key properties of N-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 326.49 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 119995828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).