N-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine

C10H17ClN2S — CID 65169037

IUPACN-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1nc(N(CCCl)C(C)C)sc1C
InChIInChI=1S/C10H17ClN2S/c1-7(2)13(6-5-11)10-12-8(3)9(4)14-10/h7H,5-6H2,1-4H3
InChIKeyZGOXBXUQJNNRQH-UHFFFAOYSA-N
MW232.78 g/mol
LogP3.21
Rot. Bonds4

About N-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine

N-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 65169037) has the molecular formula C10H17ClN2S and a molecular weight of 232.78 g/mol. Its IUPAC name is N-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID65169037
Molecular FormulaC10H17ClN2S
Molecular Weight232.78 g/mol
Exact Mass232.08
IUPAC NameN-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1nc(N(CCCl)C(C)C)sc1C
InChIInChI=1S/C10H17ClN2S/c1-7(2)13(6-5-11)10-12-8(3)9(4)14-10/h7H,5-6H2,1-4H3
InChIKeyZGOXBXUQJNNRQH-UHFFFAOYSA-N
XLogP3.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.78
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine
CID 65169152
N-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine
CID 65168874
4,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 106641327
4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol
CID 115691904
N-(2-methoxyethyl)-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 82965903
3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide
CID 65169370
3-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]-2-methylpropanenitrile
CID 65169523
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylpropanamide
CID 110752895
2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 65169781
1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone
CID 55114088
N-(3-chloropropyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65277799
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-propylpropane-1,3-diamine
CID 65169679

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine (CID 65169037) is N-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine is Cc1nc(N(CCCl)C(C)C)sc1C.
What is the InChIKey of N-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is ZGOXBXUQJNNRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2S/c1-7(2)13(6-5-11)10-12-8(3)9(4)14-10/h7H,5-6H2,1-4H3.
What are the key properties of N-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine?
N-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 232.78 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 65169037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).