N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine

C14H19N3S — CID 114364727

IUPACN-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(Cc2ccncc2)nc1C(C)C
InChIInChI=1S/C14H19N3S/c1-10(2)14-12(9-15-3)18-13(17-14)8-11-4-6-16-7-5-11/h4-7,10,15H,8-9H2,1-3H3
InChIKeyAPIAHNAYGIXWDA-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.97
Rot. Bonds5

About N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine

N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114364727) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114364727
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(Cc2ccncc2)nc1C(C)C
InChIInChI=1S/C14H19N3S/c1-10(2)14-12(9-15-3)18-13(17-14)8-11-4-6-16-7-5-11/h4-7,10,15H,8-9H2,1-3H3
InChIKeyAPIAHNAYGIXWDA-UHFFFAOYSA-N
XLogP2.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82433773
1-[2-[(dimethylamino)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82435165
[2-[(4-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82433809
2-[2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82433828
1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368265
N-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
CID 82433530
2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine
CID 91308032
1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364911
N-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 62551593
N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114364781
N-methyl-1-[2-(4-methylsulfanylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 106849680
[4-(methoxymethyl)-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114361593

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine (CID 114364727) is N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine is CNCc1sc(Cc2ccncc2)nc1C(C)C.
What is the InChIKey of N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is APIAHNAYGIXWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10(2)14-12(9-15-3)18-13(17-14)8-11-4-6-16-7-5-11/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 261.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114364727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).