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

C14H26N4O2S — CID 106015602

IUPAC3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCCCCOC(C)C
InChIInChI=1S/C14H26N4O2S/c1-9(2)17-13(19)11-12(15)18-21-14(11)16-7-5-6-8-20-10(3)4/h9-10,16H,5-8H2,1-4H3,(H2,15,18)(H,17,19)
InChIKeyQBQNFZZTDOTAPN-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.48
Rot. Bonds9

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

3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide (PubChem CID 106015602) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide
PubChem CID106015602
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCCCCOC(C)C
InChIInChI=1S/C14H26N4O2S/c1-9(2)17-13(19)11-12(15)18-21-14(11)16-7-5-6-8-20-10(3)4/h9-10,16H,5-8H2,1-4H3,(H2,15,18)(H,17,19)
InChIKeyQBQNFZZTDOTAPN-UHFFFAOYSA-N
XLogP2.48
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.48
H-Bond Donors ≤ 53
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-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 107324527
3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383143
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
3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384495
4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine
CID 114137469
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-(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-[(2-ethoxy-2-methylpropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384833
3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380008
3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382771

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide (CID 106015602) is 3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1NCCCCOC(C)C.
What is the InChIKey of 3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is QBQNFZZTDOTAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-9(2)17-13(19)11-12(15)18-21-14(11)16-7-5-6-8-20-10(3)4/h9-10,16H,5-8H2,1-4H3,(H2,15,18)(H,17,19).
What are the key properties of 3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide?
3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 314.46 g/mol, XLogP of 2.48, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 106015602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).