N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine

C9H14N2S2 — CID 61280795

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine
SMILESCc1ncc(CNC2CCSC2)s1
InChIInChI=1S/C9H14N2S2/c1-7-10-4-9(13-7)5-11-8-2-3-12-6-8/h4,8,11H,2-3,5-6H2,1H3
InChIKeyHWYODOJDSQVZHN-UHFFFAOYSA-N
MW214.36 g/mol
LogP2.05
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine (PubChem CID 61280795) has the molecular formula C9H14N2S2 and a molecular weight of 214.36 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine
PubChem CID61280795
Molecular FormulaC9H14N2S2
Molecular Weight214.36 g/mol
Exact Mass214.06
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine
SMILESCc1ncc(CNC2CCSC2)s1
InChIInChI=1S/C9H14N2S2/c1-7-10-4-9(13-7)5-11-8-2-3-12-6-8/h4,8,11H,2-3,5-6H2,1H3
InChIKeyHWYODOJDSQVZHN-UHFFFAOYSA-N
XLogP2.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 103701514
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704086
N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine
CID 63622731
(4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine
CID 124509220
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine
CID 60941990
N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 115676041
1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine
CID 79459261
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60958342
3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine
CID 115656347
5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one
CID 63378448
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625271
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 60937187

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine (CID 61280795) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine is Cc1ncc(CNC2CCSC2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine?
The InChIKey is HWYODOJDSQVZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S2/c1-7-10-4-9(13-7)5-11-8-2-3-12-6-8/h4,8,11H,2-3,5-6H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine has a molecular weight of 214.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 61280795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).