4-chloro-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine

C11H19ClN2S — CID 83157054

IUPAC4-chloro-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)CN(CC(C)C)c1nc(Cl)cs1
InChIInChI=1S/C11H19ClN2S/c1-8(2)5-14(6-9(3)4)11-13-10(12)7-15-11/h7-9H,5-6H2,1-4H3
InChIKeyWPYWABHFISTGRT-UHFFFAOYSA-N
MW246.81 g/mol
LogP3.91
Rot. Bonds5

About 4-chloro-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine

4-chloro-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 83157054) has the molecular formula C11H19ClN2S and a molecular weight of 246.81 g/mol. Its IUPAC name is 4-chloro-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID83157054
Molecular FormulaC11H19ClN2S
Molecular Weight246.81 g/mol
Exact Mass246.10
IUPAC Name4-chloro-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)CN(CC(C)C)c1nc(Cl)cs1
InChIInChI=1S/C11H19ClN2S/c1-8(2)5-14(6-9(3)4)11-13-10(12)7-15-11/h7-9H,5-6H2,1-4H3
InChIKeyWPYWABHFISTGRT-UHFFFAOYSA-N
XLogP3.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.81
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64544603
4-chloro-N,N-dimethyl-1,3-thiazol-2-amine
CID 68840678
2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569265
4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 43532090
4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 83155951
2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide
CID 103103685
4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
CID 83156097
1-N-(4-chloro-1,3-thiazol-2-yl)-1-N,4-dimethylpentane-1,3-diamine
CID 83155925
3-[(4-chloro-1,3-thiazol-2-yl)-propan-2-ylamino]propanenitrile
CID 83151920
methyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate
CID 83156794
4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 83156958
4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 83153720

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine (CID 83157054) is 4-chloro-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine is CC(C)CN(CC(C)C)c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is WPYWABHFISTGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2S/c1-8(2)5-14(6-9(3)4)11-13-10(12)7-15-11/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-chloro-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine?
4-chloro-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 246.81 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83157054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).