4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine

C10H19N3S — CID 114365185

IUPAC4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N)nc1C(C)C
InChIInChI=1S/C10H19N3S/c1-4-5-12-6-8-9(7(2)3)13-10(11)14-8/h7,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyJNDIAXPVTPFBQU-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.35
Rot. Bonds5

About 4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine

4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 114365185) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID114365185
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N)nc1C(C)C
InChIInChI=1S/C10H19N3S/c1-4-5-12-6-8-9(7(2)3)13-10(11)14-8/h7,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyJNDIAXPVTPFBQU-UHFFFAOYSA-N
XLogP2.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.35
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

5-ethyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 105434610
N-[[2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82434472
N-[[2-(ethoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365231
N-[[2-(1-ethoxypropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365184
N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365238
N-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82433663
N-[[2-(4-ethylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82435037
N-[[2-(tert-butylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365285
N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 79392809
N-[[2-(3,4-dimethylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79393677
N-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82433773
N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine
CID 79381980

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 114365185) is 4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N)nc1C(C)C.
What is the InChIKey of 4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is JNDIAXPVTPFBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-5-12-6-8-9(7(2)3)13-10(11)14-8/h7,12H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of 4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 114365185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).