5-cyclopropyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

C12H20N2S2 — CID 80612753

IUPAC5-cyclopropyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CCC(CNC2=NCC(C3CC3)S2)SC1
InChIInChI=1S/C12H20N2S2/c1-2-6-15-10(3-1)7-13-12-14-8-11(16-12)9-4-5-9/h9-11H,1-8H2,(H,13,14)
InChIKeyHKAVMTJMSJCGKZ-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.74
Rot. Bonds3

About 5-cyclopropyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 80612753) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 5-cyclopropyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID80612753
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name5-cyclopropyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CCC(CNC2=NCC(C3CC3)S2)SC1
InChIInChI=1S/C12H20N2S2/c1-2-6-15-10(3-1)7-13-12-14-8-11(16-12)9-4-5-9/h9-11H,1-8H2,(H,13,14)
InChIKeyHKAVMTJMSJCGKZ-UHFFFAOYSA-N
XLogP2.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 80612269
N-tert-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296741
2,3,4,5,6-pentafluoro-N-(thian-2-ylmethyl)aniline
CID 80612576
2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide
CID 63296562
5-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 114180756
2-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-1,1-dimethylhydrazine
CID 83019299
5-cyclopropyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 55171605
2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine
CID 80595463
N-methyl-1-(thian-2-yl)methanamine
CID 80593784
5-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106014087
5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63296287
N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 113359779

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 80612753) is 5-cyclopropyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is C1CCC(CNC2=NCC(C3CC3)S2)SC1.
What is the InChIKey of 5-cyclopropyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HKAVMTJMSJCGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-2-6-15-10(3-1)7-13-12-14-8-11(16-12)9-4-5-9/h9-11H,1-8H2,(H,13,14).
What are the key properties of 5-cyclopropyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 256.44 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 80612753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).