N-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine

C16H24N4S — CID 63837746

IUPACN-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
SMILESCc1ncsc1CN(C)c1ccc(CNCC(C)C)cn1
InChIInChI=1S/C16H24N4S/c1-12(2)7-17-8-14-5-6-16(18-9-14)20(4)10-15-13(3)19-11-21-15/h5-6,9,11-12,17H,7-8,10H2,1-4H3
InChIKeyUTBQPFRCHAPEOK-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.23
Rot. Bonds7

About N-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine

N-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine (PubChem CID 63837746) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
PubChem CID63837746
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
SMILESCc1ncsc1CN(C)c1ccc(CNCC(C)C)cn1
InChIInChI=1S/C16H24N4S/c1-12(2)7-17-8-14-5-6-16(18-9-14)20(4)10-15-13(3)19-11-21-15/h5-6,9,11-12,17H,7-8,10H2,1-4H3
InChIKeyUTBQPFRCHAPEOK-UHFFFAOYSA-N
XLogP3.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine with MolForge

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Related Compounds

5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 63842233
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62288831
N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280275
N-(2,2-dimethylpropyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287062
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 81057672
N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80630475
N'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 63838282
N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine
CID 62292737
N-[[4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63838273
5-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 55054778
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63070347
5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282303

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine (CID 63837746) is N-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine is Cc1ncsc1CN(C)c1ccc(CNCC(C)C)cn1.
What is the InChIKey of N-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine?
The InChIKey is UTBQPFRCHAPEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-12(2)7-17-8-14-5-6-16(18-9-14)20(4)10-15-13(3)19-11-21-15/h5-6,9,11-12,17H,7-8,10H2,1-4H3.
What are the key properties of N-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine?
N-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 63837746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).