N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

C11H15N3S2 — CID 104771044

IUPACN-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C)cs1)c1nc(C)cs1
InChIInChI=1S/C11H15N3S2/c1-4-12-9(10-13-7(2)5-15-10)11-14-8(3)6-16-11/h5-6,9,12H,4H2,1-3H3
InChIKeySNLQTADOHXOPSC-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.92
Rot. Bonds4

About N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 104771044) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID104771044
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC NameN-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C)cs1)c1nc(C)cs1
InChIInChI=1S/C11H15N3S2/c1-4-12-9(10-13-7(2)5-15-10)11-14-8(3)6-16-11/h5-6,9,12H,4H2,1-3H3
InChIKeySNLQTADOHXOPSC-UHFFFAOYSA-N
XLogP2.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61346978
N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 55108354
N-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66135355
N-[(4-methyl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methyl]ethanamine
CID 66132025
N-[(2-chloro-6-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61331379
N-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 106676092
N-[(3,5-dichlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330656
N-[(4-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61330841
N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine
CID 61330849
(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880
(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005
2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine
CID 115887446

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 104771044) is N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1nc(C)cs1)c1nc(C)cs1.
What is the InChIKey of N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is SNLQTADOHXOPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-4-12-9(10-13-7(2)5-15-10)11-14-8(3)6-16-11/h5-6,9,12H,4H2,1-3H3.
What are the key properties of N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 253.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 104771044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).