N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide

C9H15N3OS — CID 103931770

IUPACN-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)NCCNC(=O)c1cncs1
InChIInChI=1S/C9H15N3OS/c1-7(2)11-3-4-12-9(13)8-5-10-6-14-8/h5-7,11H,3-4H2,1-2H3,(H,12,13)
InChIKeyVIANVWCBDDYBHT-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.87
Rot. Bonds5

About N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide

N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 103931770) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID103931770
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)NCCNC(=O)c1cncs1
InChIInChI=1S/C9H15N3OS/c1-7(2)11-3-4-12-9(13)8-5-10-6-14-8/h5-7,11H,3-4H2,1-2H3,(H,12,13)
InChIKeyVIANVWCBDDYBHT-UHFFFAOYSA-N
XLogP0.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 110848299
N-(2-aminoethyl)-1,3-thiazole-5-carboxamide
CID 83617604
N-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide
CID 62664375
N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 107168303
N-butan-2-yl-1,3-thiazole-5-carboxamide
CID 110848421
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 139226744
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 110850665
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 91833520
N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 175935774
N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 141197607
N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide
CID 103881171

Frequently Asked Questions

What is the IUPAC name of N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 103931770) is N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is CC(C)NCCNC(=O)c1cncs1.
What is the InChIKey of N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VIANVWCBDDYBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7(2)11-3-4-12-9(13)8-5-10-6-14-8/h5-7,11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 213.31 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103931770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).