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

C14H27N5OS — CID 103382511

IUPAC3-amino-5-[5-(diethylamino)pentan-2-ylamino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCCN(CC)CCCC(C)Nc1snc(N)c1C(=O)NC
InChIInChI=1S/C14H27N5OS/c1-5-19(6-2)9-7-8-10(3)17-14-11(13(20)16-4)12(15)18-21-14/h10,17H,5-9H2,1-4H3,(H2,15,18)(H,16,20)
InChIKeyGWIWIVNRIDKFQZ-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.01
Rot. Bonds9

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

3-amino-5-[5-(diethylamino)pentan-2-ylamino]-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103382511) has the molecular formula C14H27N5OS and a molecular weight of 313.47 g/mol. Its IUPAC name is 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[5-(diethylamino)pentan-2-ylamino]-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103382511
Molecular FormulaC14H27N5OS
Molecular Weight313.47 g/mol
Exact Mass313.19
IUPAC Name3-amino-5-[5-(diethylamino)pentan-2-ylamino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCCN(CC)CCCC(C)Nc1snc(N)c1C(=O)NC
InChIInChI=1S/C14H27N5OS/c1-5-19(6-2)9-7-8-10(3)17-14-11(13(20)16-4)12(15)18-21-14/h10,17H,5-9H2,1-4H3,(H2,15,18)(H,16,20)
InChIKeyGWIWIVNRIDKFQZ-UHFFFAOYSA-N
XLogP2.01
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide
CID 103379230
3-amino-5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103383996
3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382875
3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381225
3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 106259045
3-amino-N-methyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]-1,2-thiazole-4-carboxamide
CID 103381250
3-amino-N-methyl-5-(2-phenylpropylamino)-1,2-thiazole-4-carboxamide
CID 103384284
3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide
CID 103382526
3-amino-5-(2-methoxyethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382263
3-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384824
3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382283
3-amino-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide
CID 103379227

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-N-methyl-1,2-thiazole-4-carboxamide (CID 103382511) is 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-N-methyl-1,2-thiazole-4-carboxamide is CCN(CC)CCCC(C)Nc1snc(N)c1C(=O)NC.
What is the InChIKey of 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is GWIWIVNRIDKFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5OS/c1-5-19(6-2)9-7-8-10(3)17-14-11(13(20)16-4)12(15)18-21-14/h10,17H,5-9H2,1-4H3,(H2,15,18)(H,16,20).
What are the key properties of 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-[5-(diethylamino)pentan-2-ylamino]-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 313.47 g/mol, XLogP of 2.01, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).