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

C13H19N3S — CID 114956895

IUPACN-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccncc1CNC1=NCC(C(C)C)S1
InChIInChI=1S/C13H19N3S/c1-9(2)12-8-16-13(17-12)15-7-11-6-14-5-4-10(11)3/h4-6,9,12H,7-8H2,1-3H3,(H,15,16)
InChIKeyYKAQSGGVZJTJBU-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.61
Rot. Bonds3

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

N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114956895) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114956895
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccncc1CNC1=NCC(C(C)C)S1
InChIInChI=1S/C13H19N3S/c1-9(2)12-8-16-13(17-12)15-7-11-6-14-5-4-10(11)3/h4-6,9,12H,7-8H2,1-3H3,(H,15,16)
InChIKeyYKAQSGGVZJTJBU-UHFFFAOYSA-N
XLogP2.61
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 114956902
N-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 114956905
N-[(2-chlorophenyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 113492361
N-[(4-methyl-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 114956901
5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154847
N-[(3-methyl-4-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 114701228
5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 113492338
N-(4-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285270
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine
CID 106583378
5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956718
4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956711

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 114956895) is N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccncc1CNC1=NCC(C(C)C)S1.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YKAQSGGVZJTJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9(2)12-8-16-13(17-12)15-7-11-6-14-5-4-10(11)3/h4-6,9,12H,7-8H2,1-3H3,(H,15,16).
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 249.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114956895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).