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

C15H27N3S — CID 62752929

IUPACN-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)CNCc1cnc(N(CC2CC2)C(C)C)s1
InChIInChI=1S/C15H27N3S/c1-11(2)7-16-8-14-9-17-15(19-14)18(12(3)4)10-13-5-6-13/h9,11-13,16H,5-8,10H2,1-4H3
InChIKeyVBHTXHCPGRFZLA-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.51
Rot. Bonds8

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

N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 62752929) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID62752929
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)CNCc1cnc(N(CC2CC2)C(C)C)s1
InChIInChI=1S/C15H27N3S/c1-11(2)7-16-8-14-9-17-15(19-14)18(12(3)4)10-13-5-6-13/h9,11-13,16H,5-8,10H2,1-4H3
InChIKeyVBHTXHCPGRFZLA-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 62752929) is N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)CNCc1cnc(N(CC2CC2)C(C)C)s1.
What is the InChIKey of N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is VBHTXHCPGRFZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11(2)7-16-8-14-9-17-15(19-14)18(12(3)4)10-13-5-6-13/h9,11-13,16H,5-8,10H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine?
N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 62752929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).