4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide

C12H20N4OS — CID 116665637

IUPAC4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)N(C)CC2CCC2)s1
InChIInChI=1S/C12H20N4OS/c1-3-14-12-15-10(13)9(18-12)11(17)16(2)7-8-5-4-6-8/h8H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyZMJUOEDOIFSXEE-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.03
Rot. Bonds5

About 4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide

4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 116665637) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID116665637
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)N(C)CC2CCC2)s1
InChIInChI=1S/C12H20N4OS/c1-3-14-12-15-10(13)9(18-12)11(17)16(2)7-8-5-4-6-8/h8H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyZMJUOEDOIFSXEE-UHFFFAOYSA-N
XLogP2.03
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(cyclopentylmethyl)-2-[ethyl(methyl)amino]-N-methyl-1,3-thiazole-5-carboxamide
CID 116666232
4-amino-2-(ethylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116665920
4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116670593
4-amino-2-(ethylamino)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666497
4-amino-N-(cyclobutylmethyl)-N-ethyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 107403247
4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664355
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 116670409
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114802978
4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669863
4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663308
4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116664190
4-amino-2-(tert-butylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663310

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide (CID 116665637) is 4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)N(C)CC2CCC2)s1.
What is the InChIKey of 4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZMJUOEDOIFSXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-14-12-15-10(13)9(18-12)11(17)16(2)7-8-5-4-6-8/h8H,3-7,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide?
4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).