4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide

C15H24N4OS — CID 116664984

IUPAC4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)NCC2CC=CCC2)s1
InChIInChI=1S/C15H24N4OS/c1-3-9-19(2)15-18-13(16)12(21-15)14(20)17-10-11-7-5-4-6-8-11/h4-5,11H,3,6-10,16H2,1-2H3,(H,17,20)
InChIKeyLWNAHHMLMUWXFA-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.66
Rot. Bonds6

About 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide

4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 116664984) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID116664984
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)NCC2CC=CCC2)s1
InChIInChI=1S/C15H24N4OS/c1-3-9-19(2)15-18-13(16)12(21-15)14(20)17-10-11-7-5-4-6-8-11/h4-5,11H,3,6-10,16H2,1-2H3,(H,17,20)
InChIKeyLWNAHHMLMUWXFA-UHFFFAOYSA-N
XLogP2.66
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-[methyl(propyl)amino]-N-(oxan-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116666332
4-amino-N-[(3-hydroxycyclobutyl)methyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671049
4-amino-N-(2-cyclopropylpropyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116672850
4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664985
4-amino-2-[methyl(propyl)amino]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116669026
4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116669734
4-amino-N-(3-methylbut-2-enyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 106199031
4-amino-2-[methyl(propyl)amino]-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 116665952
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 114759737
4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116673262
4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
CID 106138902
4-amino-2-[methyl(propyl)amino]-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
CID 116673120

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide (CID 116664984) is 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide is CCCN(C)c1nc(N)c(C(=O)NCC2CC=CCC2)s1.
What is the InChIKey of 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is LWNAHHMLMUWXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-3-9-19(2)15-18-13(16)12(21-15)14(20)17-10-11-7-5-4-6-8-11/h4-5,11H,3,6-10,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).