N-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine

C15H27N3S — CID 62768154

IUPACN-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)C(C)C2CC2)sc1CNC(C)C
InChIInChI=1S/C15H27N3S/c1-6-13-14(9-16-10(2)3)19-15(17-13)18(5)11(4)12-7-8-12/h10-12,16H,6-9H2,1-5H3
InChIKeyOJPLLYXDHJTSIE-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.44
Rot. Bonds7

About N-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine

N-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 62768154) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID62768154
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)C(C)C2CC2)sc1CNC(C)C
InChIInChI=1S/C15H27N3S/c1-6-13-14(9-16-10(2)3)19-15(17-13)18(5)11(4)12-7-8-12/h10-12,16H,6-9H2,1-5H3
InChIKeyOJPLLYXDHJTSIE-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 62768327
N-(cyclopropylmethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 55117701
N-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62764846
4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768706
4-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 79311640
N-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768303
N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62751631
5-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395527
4-cyclopropyl-N-(1-cyclopropylethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 63915790
4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 115987992
5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 82430873
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 62765369

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 62768154) is N-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is CCc1nc(N(C)C(C)C2CC2)sc1CNC(C)C.
What is the InChIKey of N-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is OJPLLYXDHJTSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-6-13-14(9-16-10(2)3)19-15(17-13)18(5)11(4)12-7-8-12/h10-12,16H,6-9H2,1-5H3.
What are the key properties of N-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
N-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62768154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).