N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine

C12H17N3S2 — CID 104585121

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCc1nc(C(C)NCC(C)c2nccs2)cs1
InChIInChI=1S/C12H17N3S2/c1-8(12-13-4-5-16-12)6-14-9(2)11-7-17-10(3)15-11/h4-5,7-9,14H,6H2,1-3H3
InChIKeyVDGFFXOUXBGZMN-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.36
Rot. Bonds5

About N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 104585121) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID104585121
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCc1nc(C(C)NCC(C)c2nccs2)cs1
InChIInChI=1S/C12H17N3S2/c1-8(12-13-4-5-16-12)6-14-9(2)11-7-17-10(3)15-11/h4-5,7-9,14H,6H2,1-3H3
InChIKeyVDGFFXOUXBGZMN-UHFFFAOYSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 115405653
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585128
(2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 124846660
4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol
CID 103822917
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584971
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585048
N-[1-(1-benzothiophen-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 102613455
N-[1-(4-methyl-3-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584889
2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid
CID 114129193
2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol
CID 66168316
4-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide
CID 104585008

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine (CID 104585121) is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine is Cc1nc(C(C)NCC(C)c2nccs2)cs1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is VDGFFXOUXBGZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-8(12-13-4-5-16-12)6-14-9(2)11-7-17-10(3)15-11/h4-5,7-9,14H,6H2,1-3H3.
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 104585121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).