N,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine

C14H27N3S — CID 62768335

IUPACN,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCCC(C)N(C)c1nc(C)c(CNC(C)C)s1
InChIInChI=1S/C14H27N3S/c1-7-8-11(4)17(6)14-16-12(5)13(18-14)9-15-10(2)3/h10-11,15H,7-9H2,1-6H3
InChIKeyPLZXFEYSMIDHTC-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.57
Rot. Bonds7

About N,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine

N,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 62768335) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID62768335
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCCC(C)N(C)c1nc(C)c(CNC(C)C)s1
InChIInChI=1S/C14H27N3S/c1-7-8-11(4)17(6)14-16-12(5)13(18-14)9-15-10(2)3/h10-11,15H,7-9H2,1-6H3
InChIKeyPLZXFEYSMIDHTC-UHFFFAOYSA-N
XLogP3.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 115600536
N,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62766864
N-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 81068229
N,4-dimethyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 55117328
N-methyl-5-(methylaminomethyl)-N-pentan-2-yl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395621
N,4-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62767575
N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
CID 63208807
N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63706345
N-(2-methoxyethyl)-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 82965903
5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-pentan-2-yl-1,3-thiazol-2-amine
CID 62769033
N-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62764340
4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 115987992

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 62768335) is N,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is CCCC(C)N(C)c1nc(C)c(CNC(C)C)s1.
What is the InChIKey of N,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is PLZXFEYSMIDHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-7-8-11(4)17(6)14-16-12(5)13(18-14)9-15-10(2)3/h10-11,15H,7-9H2,1-6H3.
What are the key properties of N,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
N,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 269.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62768335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).