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

C12H22N4O2S — CID 107324527

IUPAC3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCCCCCO
InChIInChI=1S/C12H22N4O2S/c1-8(2)15-11(18)9-10(13)16-19-12(9)14-6-4-3-5-7-17/h8,14,17H,3-7H2,1-2H3,(H2,13,16)(H,15,18)
InChIKeyWDVDGJJEVPRARU-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.44
Rot. Bonds8

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

3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 107324527) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID107324527
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCCCCCO
InChIInChI=1S/C12H22N4O2S/c1-8(2)15-11(18)9-10(13)16-19-12(9)14-6-4-3-5-7-17/h8,14,17H,3-7H2,1-2H3,(H2,13,16)(H,15,18)
InChIKeyWDVDGJJEVPRARU-UHFFFAOYSA-N
XLogP1.44
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide
CID 106015602
3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383143
3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382715
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-cyclopentylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383123
3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383675
methyl 3-amino-5-(3-hydroxypropylamino)-1,2-thiazole-4-carboxylate
CID 103382712
3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384495
3-amino-5-[(2-ethoxy-2-methylpropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384833
3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383654
3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 106044587
3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380008

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 107324527) is 3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1NCCCCCO.
What is the InChIKey of 3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is WDVDGJJEVPRARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-8(2)15-11(18)9-10(13)16-19-12(9)14-6-4-3-5-7-17/h8,14,17H,3-7H2,1-2H3,(H2,13,16)(H,15,18).
What are the key properties of 3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 1.44, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 107324527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).