N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(thian-4-yl)methanamine

C10H15ClN2S2 — CID 104879104

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(thian-4-yl)methanamine
SMILESClc1cnc(CNCC2CCSCC2)s1
InChIInChI=1S/C10H15ClN2S2/c11-9-6-13-10(15-9)7-12-5-8-1-3-14-4-2-8/h6,8,12H,1-5,7H2
InChIKeyBOCCMHWRCDKPDA-UHFFFAOYSA-N
MW262.83 g/mol
LogP3.03
Rot. Bonds4

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(thian-4-yl)methanamine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(thian-4-yl)methanamine (PubChem CID 104879104) has the molecular formula C10H15ClN2S2 and a molecular weight of 262.83 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(thian-4-yl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(thian-4-yl)methanamine
PubChem CID104879104
Molecular FormulaC10H15ClN2S2
Molecular Weight262.83 g/mol
Exact Mass262.04
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(thian-4-yl)methanamine
SMILESClc1cnc(CNCC2CCSCC2)s1
InChIInChI=1S/C10H15ClN2S2/c11-9-6-13-10(15-9)7-12-5-8-1-3-14-4-2-8/h6,8,12H,1-5,7H2
InChIKeyBOCCMHWRCDKPDA-UHFFFAOYSA-N
XLogP3.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.83
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 104879210
2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 104879247
N-[(5-chloro-1,3-thiazol-2-yl)methyl]prop-2-yn-1-amine
CID 104878439
5-chloro-N-(thian-4-ylmethyl)pyrimidin-2-amine
CID 115674171
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 104878846
2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 104954546
N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 130736430
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)methanamine
CID 104879256
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol
CID 107124089
N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine
CID 115625870
tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate
CID 104879550
1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 104879343

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(thian-4-yl)methanamine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(thian-4-yl)methanamine (CID 104879104) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(thian-4-yl)methanamine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(thian-4-yl)methanamine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(thian-4-yl)methanamine is Clc1cnc(CNCC2CCSCC2)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(thian-4-yl)methanamine?
The InChIKey is BOCCMHWRCDKPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S2/c11-9-6-13-10(15-9)7-12-5-8-1-3-14-4-2-8/h6,8,12H,1-5,7H2.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(thian-4-yl)methanamine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(thian-4-yl)methanamine has a molecular weight of 262.83 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(thian-4-yl)methanamine is sourced from PubChem (CID 104879104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).