3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide

C14H26N4OS — CID 103381225

IUPAC3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)CCC(C)Nc1snc(N)c1C(=O)NC(C)C
InChIInChI=1S/C14H26N4OS/c1-8(2)6-7-10(5)17-14-11(12(15)18-20-14)13(19)16-9(3)4/h8-10,17H,6-7H2,1-5H3,(H2,15,18)(H,16,19)
InChIKeyIMEUCHAUHYVSHA-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.10
Rot. Bonds7

About 3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103381225) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103381225
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)CCC(C)Nc1snc(N)c1C(=O)NC(C)C
InChIInChI=1S/C14H26N4OS/c1-8(2)6-7-10(5)17-14-11(12(15)18-20-14)13(19)16-9(3)4/h8-10,17H,6-7H2,1-5H3,(H2,15,18)(H,16,19)
InChIKeyIMEUCHAUHYVSHA-UHFFFAOYSA-N
XLogP3.10
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 106174673
3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383675
3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383654
3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384495
3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383143
3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 107324527
3-amino-5-[5-(diethylamino)pentan-2-ylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103382511
3-amino-5-(diethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381087
3-amino-5-[(2-ethoxy-2-methylpropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384833
3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide
CID 103379230
methyl 3-amino-5-(3-methylbutylamino)-1,2-thiazole-4-carboxylate
CID 103382480

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103381225) is 3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)CCC(C)Nc1snc(N)c1C(=O)NC(C)C.
What is the InChIKey of 3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is IMEUCHAUHYVSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-8(2)6-7-10(5)17-14-11(12(15)18-20-14)13(19)16-9(3)4/h8-10,17H,6-7H2,1-5H3,(H2,15,18)(H,16,19).
What are the key properties of 3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 298.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103381225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).