4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide

C13H22N4OS — CID 116663408

IUPAC4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C13H22N4OS/c1-4-7-17(8-9-5-6-9)12(18)10-11(14)15-13(19-10)16(2)3/h9H,4-8,14H2,1-3H3
InChIKeyCYNMQASBRCYLQH-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.05
Rot. Bonds6

About 4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide

4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 116663408) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID116663408
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C13H22N4OS/c1-4-7-17(8-9-5-6-9)12(18)10-11(14)15-13(19-10)16(2)3/h9H,4-8,14H2,1-3H3
InChIKeyCYNMQASBRCYLQH-UHFFFAOYSA-N
XLogP2.05
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N,N-bis(cyclopropylmethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666777
4-amino-N-(cyclopropylmethyl)-2-(propan-2-ylamino)-N-propyl-1,3-thiazole-5-carboxamide
CID 116663404
4-amino-2-(dimethylamino)-N,N-bis(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 116670876
4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide
CID 116665037
4-amino-N-(2-cyclopropylethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116667320
4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide
CID 116663507
4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116669635
4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
CID 106138902
4-amino-2-[ethyl(methyl)amino]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116664521
N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide
CID 7576734
4-amino-2-(dimethylamino)-N-methyl-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116669684
4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 116664214

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide (CID 116663408) is 4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide is CCCN(CC1CC1)C(=O)c1sc(N(C)C)nc1N.
What is the InChIKey of 4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is CYNMQASBRCYLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-4-7-17(8-9-5-6-9)12(18)10-11(14)15-13(19-10)16(2)3/h9H,4-8,14H2,1-3H3.
What are the key properties of 4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide?
4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).