N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C10H13N3S — CID 62991990

IUPACN-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(CNC2=NCCS2)cn1
InChIInChI=1S/C10H13N3S/c1-8-2-3-9(6-12-8)7-13-10-11-4-5-14-10/h2-3,6H,4-5,7H2,1H3,(H,11,13)
InChIKeyKOENFHOFUHBFCB-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.58
Rot. Bonds2

About N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 62991990) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID62991990
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(CNC2=NCCS2)cn1
InChIInChI=1S/C10H13N3S/c1-8-2-3-9(6-12-8)7-13-10-11-4-5-14-10/h2-3,6H,4-5,7H2,1H3,(H,11,13)
InChIKeyKOENFHOFUHBFCB-UHFFFAOYSA-N
XLogP1.58
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 3055292
N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 139763051
5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982708
1-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969999
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazin-2-amine
CID 83064247
2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 60965717
3,6-dichloro-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-triazin-5-amine
CID 81036548
3-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 62995375
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 62995202
N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline
CID 104821896
2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749132

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 62991990) is N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc(CNC2=NCCS2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KOENFHOFUHBFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-8-2-3-9(6-12-8)7-13-10-11-4-5-14-10/h2-3,6H,4-5,7H2,1H3,(H,11,13).
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 207.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 62991990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).