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

C14H21N3S — CID 106285270

IUPACN-(4-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2cnccc2C)S1
InChIInChI=1S/C14H21N3S/c1-4-11(5-2)13-9-16-14(18-13)17-12-8-15-7-6-10(12)3/h6-8,11,13H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyFCBTXHSDLDWCOZ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.71
Rot. Bonds4

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

N-(4-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285270) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(4-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285270
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-(4-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2cnccc2C)S1
InChIInChI=1S/C14H21N3S/c1-4-11(5-2)13-9-16-14(18-13)17-12-8-15-7-6-10(12)3/h6-8,11,13H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyFCBTXHSDLDWCOZ-UHFFFAOYSA-N
XLogP3.71
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284901
N-(6-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285482
N-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284902
N-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285015
N-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285478
5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106284824
3-bromo-4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile
CID 106285807
N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114956895
5-pentan-3-yl-N-(2-phenylcyclopropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285093
N-(3-bromo-4-methoxyphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285384
4-methyl-N-pentan-3-ylpyridin-3-amine
CID 63329847
N-(4-methylpiperazin-1-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285529

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106285270) is N-(4-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(Nc2cnccc2C)S1.
What is the InChIKey of N-(4-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FCBTXHSDLDWCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-11(5-2)13-9-16-14(18-13)17-12-8-15-7-6-10(12)3/h6-8,11,13H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of N-(4-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 263.41 g/mol, XLogP of 3.71, 4 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)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).