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

C13H22N4OS — CID 103380792

IUPAC3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N(C)CC1CCCCC1
InChIInChI=1S/C13H22N4OS/c1-15-12(18)10-11(14)16-19-13(10)17(2)8-9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyTWHKFXZHMHOATH-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.10
Rot. Bonds4

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

3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103380792) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103380792
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N(C)CC1CCCCC1
InChIInChI=1S/C13H22N4OS/c1-15-12(18)10-11(14)16-19-13(10)17(2)8-9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyTWHKFXZHMHOATH-UHFFFAOYSA-N
XLogP2.10
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[cyclopentylmethyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381902
3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379754
ethyl 3-amino-5-[cyclohexylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103380786
3-amino-N-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,2-thiazole-4-carboxamide
CID 103383325
methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103379639
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
methyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103381952
3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379544
3-amino-N-methyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxamide
CID 103380614
3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380335
3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380383
3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380759

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide (CID 103380792) is 3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1N(C)CC1CCCCC1.
What is the InChIKey of 3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is TWHKFXZHMHOATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-15-12(18)10-11(14)16-19-13(10)17(2)8-9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).