4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide

C14H25N5OS — CID 116672291

IUPAC4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)NCC2(N(C)C)CCCC2)s1
InChIInChI=1S/C14H25N5OS/c1-18(2)13-17-11(15)10(21-13)12(20)16-9-14(19(3)4)7-5-6-8-14/h5-9,15H2,1-4H3,(H,16,20)
InChIKeyHMRMZRVGYAENPG-UHFFFAOYSA-N
MW311.46 g/mol
LogP1.40
Rot. Bonds5

About 4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide

4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 116672291) has the molecular formula C14H25N5OS and a molecular weight of 311.46 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID116672291
Molecular FormulaC14H25N5OS
Molecular Weight311.46 g/mol
Exact Mass311.18
IUPAC Name4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)NCC2(N(C)C)CCCC2)s1
InChIInChI=1S/C14H25N5OS/c1-18(2)13-17-11(15)10(21-13)12(20)16-9-14(19(3)4)7-5-6-8-14/h5-9,15H2,1-4H3,(H,16,20)
InChIKeyHMRMZRVGYAENPG-UHFFFAOYSA-N
XLogP1.40
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-cyclopropylethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116667320
4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666526
4-amino-2-(dimethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116664873
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 114759737
4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672594
4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
CID 106138902
4-amino-2-(dimethylamino)-N-(2-ethoxyethyl)-1,3-thiazole-5-carboxamide
CID 116670447
4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide
CID 106343612
5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 105420364
4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668777
4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668742
4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 106327698

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide (CID 116672291) is 4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide is CN(C)c1nc(N)c(C(=O)NCC2(N(C)C)CCCC2)s1.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HMRMZRVGYAENPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-18(2)13-17-11(15)10(21-13)12(20)16-9-14(19(3)4)7-5-6-8-14/h5-9,15H2,1-4H3,(H,16,20).
What are the key properties of 4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 311.46 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).