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

C13H23N3S — CID 62767601

IUPACN-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CC2)sc1CNCC(C)C
InChIInChI=1S/C13H23N3S/c1-9(2)7-14-8-12-10(3)15-13(17-12)16(4)11-5-6-11/h9,11,14H,5-8H2,1-4H3
InChIKeySLGDBKCFEBYTEJ-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.80
Rot. Bonds6

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

N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 62767601) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
PubChem CID62767601
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CC2)sc1CNCC(C)C
InChIInChI=1S/C13H23N3S/c1-9(2)7-14-8-12-10(3)15-13(17-12)16(4)11-5-6-11/h9,11,14H,5-8H2,1-4H3
InChIKeySLGDBKCFEBYTEJ-UHFFFAOYSA-N
XLogP2.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62764465
N-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 78944233
5-(ethylaminomethyl)-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 55117377
N-ethyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62764514
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767600
N-cyclopentyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63514472
N-cyclohexyl-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62764625
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 62768282
[2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol
CID 62780671
N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767216
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 62768606
N,N-dimethyl-N'-[4-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62766692

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (CID 62767601) is N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is Cc1nc(N(C)C2CC2)sc1CNCC(C)C.
What is the InChIKey of N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is SLGDBKCFEBYTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9(2)7-14-8-12-10(3)15-13(17-12)16(4)11-5-6-11/h9,11,14H,5-8H2,1-4H3.
What are the key properties of N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62767601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).